N-(tert-Butoxycarbonyl)-4-carbamoyl-2,6-dimethyl-L-phenylalanine

C₁₇H₂₄N₂O₅CAS 623950-02-7336.39 g/mol

Open in Covalent MOL file

Amide Carbamate Carboxylic acid

Properties

Molecular formula: C₁₇H₂₄N₂O₅
Molar mass: 336.39 g/mol
Exact mass: 336.1685 Da
logP: 1.92Crippen estimate
Polar surface area: 118.7 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 5
Stereocentres: Sin SMILES atom order

Hazards

Danger

H301 Toxic if swallowed50% of notifiers
H302 Harmful if swallowed25% of notifiers
H311 Toxic in contact with skin50% of notifiers
H330 Fatal if inhaled50% of notifiers
H331 Toxic if inhaled25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P403+P233, P405, P501

Identifiers

CAS number

623950-02-7

SMILES

CC1=CC(=CC(=C1C[C@@H](C(=O)O)NC(=O)OC(C)(C)C)C)C(=O)N

InChIKey

ZLUHLTMMROGKKD-ZDUSSCGKSA-N

InChI

InChI=1S/C17H24N2O5/c1-9-6-11(14(18)20)7-10(2)12(9)8-13(15(21)22)19-16(23)24-17(3,4)5/h6-7,13H,8H2,1-5H3,(H2,18,20)(H,19,23)(H,21,22)/t13-/m0/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

4-(Aminocarbonyl)-N-[(1,1-dimethylethoxy)carbonyl]-2,6-dimethyl-L-phenylalanine

Work with N-(tert-Butoxycarbonyl)-4-carbamoyl-2,6-dimethyl-L-phenylalanine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Boc-2-methyl-D-phenylalanine80102-29-061 % similar Boc-D-pentafluorophenylalanine136207-26-659 % similar (S)-2-((tert-Butoxycarbonyl)amino)-3-(perfluorophenyl)propanoic acid34702-60-859 % similar Boc-dl-phe-oh4530-18-156 % similar Boc-4-iodo-D-phenylalanine176199-35-256 % similar Boc-4-amino-L-phenylalanine55533-24-956 % similar Boc-3-methyl-L-phenylalanine114873-06-256 % similar (R)-2-((tert-Butoxycarbonyl)amino)-3-(m-tolyl)propanoic acid114873-14-256 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,5-Diethyl N-[4-(methylamino)benzoyl]-L-glutamate2378-95-2

Elsewhere

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